Chemical Properties of 3-(3-Nitroanilinomethyl)-2-benzothiazolinethione (CAS 65537-00-0)

3-(3-Nitroanilinomethyl)-2-benzothiazolinethione

InChI
InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2
InChI Key
QXJUHNJHOMXNDT-UHFFFAOYSA-N
Formula
C14H11N3O2S2
SMILES
O=[N+]([O-])c1cccc(NCn2c(=S)sc3ccccc32)c1
Molecular Weight1
317.39
CAS
65537-00-0
Other Names
  • 2-Benzothiazolinethione, 3-[(m-nitroanilino)methyl]-
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Physical Properties

Property Value Unit Source
ω 0.7294 Relay (1.0) Calculated Property
ΔfG° 445.97 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 311.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 152.22 kJ/mol Relay (1.0) Calculated Property
IE 7.65 eV Relay (1.0) Calculated Property
log10WS -5.15 Relay (1.0) Calculated Property
logPoct/wat 4.410 Crippen Calculated Property
McVol 215.520 ml/mol McGowan Calculated Property
Pc 3865.17 kPa Relay (1.0-beta) Calculated Property
Tboil 706.02 K Relay (1.0) Calculated Property
Tc 1095.80 K Relay (1.0) Calculated Property
Tfus 433.37 K Relay (1.0) Calculated Property
Vc 0.724 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Benzothiazolinethione, 3-(4-nitrophenylaminomethyl)-. 3-Anilinomethyl-2(3)-benzole thiazolethione. 2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-. Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Noscapine. Ceftazidime. N-Desmethylmirtazapine. Butorphanol di-TMS derivative. norbormide. Hydrastine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to 3-(3-Nitroanilinomethyl)-2-benzothiazolinethione.

Sources

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